Crystallography Open Database

Information card for entry 4124840

Preview

Coordinates	4124840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H34 Cu4 O20
Calculated formula	C64 H34 Cu4 O20
Title of publication	Reticular Synthesis of HKUST-like tbo-MOFs with Enhanced CH4 Storage.
Authors of publication	Spanopoulos, Ioannis; Tsangarakis, Constantinos; Klontzas, Emmanuel; Tylianakis, Emmanuel; Froudakis, George; Adil, Karim; Belmabkhout, Youssef; Eddaoudi, Mohamed; Trikalitis, Pantelis N.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	5
Pages of publication	1568 - 1574
a	25.616 ± 0.002 Å
b	28.157 ± 0.003 Å
c	40.549 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	29247 ± 5 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	4
Space group number	69
Hermann-Mauguin space group symbol	F m m m
Hall space group symbol	-F 2 2
Residual factor for all reflections	0.1519
Residual factor for significantly intense reflections	0.1463
Weighted residual factors for significantly intense reflections	0.4529
Weighted residual factors for all reflections included in the refinement	0.4608
Goodness-of-fit parameter for all reflections included in the refinement	2.011
Diffraction radiation wavelength	1.0402 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177407 (current)	2016-03-04	cif/ Updating files of 4124839, 4124840 Original log message: Adding full bibliography for 4124839--4124840.cif.	4124840.cif
173506	2016-01-06	cif/ Adding structures of 4124840 via cif-deposit CGI script.	4124840.cif